2-dimethylaminoethyl 3-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-4-methyl-phenyl)sulfonylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylate

Systemtic Name: 2-dimethylaminoethyl 3-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-4-methyl-phenyl)sulfonylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylate Openeye Name: 2-dimethylaminoethyl 3-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-4-methyl-phenyl)sulfonylamino]-2-oxo-ethyl]-1-methyl-indole-6-carboxylate CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-4-methylphenyl)sulfonylamino]-2-oxoethyl]-1-methyl-6-indolecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-4-methylphenyl)sulfonylamino]-2-oxoethyl]-1-methylindole-6-carboxylate Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-keto-2-[(2-methoxy-4-methyl-phenyl)sulfonylamino]ethyl]-1-methyl-indole-6-carboxylic acid 2-dimethylaminoethyl ester Formula: C31H33N3O8S MolecularWeight: 607.67402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC(=O)C(C2=CC3=C(C=C2)OCO3)C4=CN(C5=C4C=CC(=C5)C(=O)OCCN(C)C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC(=O)C(C2=CC3=C(C=C2)OCO3)C4=CN(C5=C4C=CC(=C5)C(=O)OCCN(C)C)C)OC

InChI

InChI=1S/C31H33N3O8S/c1-19-6-11-28(27(14-19)39-5)43(37,38)32-30(35)29(20-8-10-25-26(16-20)42-18-41-25)23-17-34(4)24-15-21(7-9-22(23)24)31(36)40-13-12-33(2)3/h6-11,14-17,29H,12-13,18H2,1-5H3,(H,32,35)