1-[7-azanyl-1-(cyclohexylmethyl)-6-(4-methylsulfonylphenyl)indol-3-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[7-azanyl-1-(cyclohexylmethyl)-6-(4-methylsulfonylphenyl)indol-3-yl]-2-methyl-propan-1-one Openeye Name: 1-[7-amino-1-(cyclohexylmethyl)-6-(4-methylsulfonylphenyl)indol-3-yl]-2-methyl-propan-1-one CAS Name: 1-[7-amino-1-(cyclohexylmethyl)-6-(4-methylsulfonylphenyl)-3-indolyl]-2-methyl-1-propanone IUPAC Name: 1-[7-amino-1-(cyclohexylmethyl)-6-(4-methylsulfonylphenyl)indol-3-yl]-2-methylpropan-1-one Traditional Name: 1-[7-amino-1-(cyclohexylmethyl)-6-(4-mesylphenyl)indol-3-yl]-2-methyl-propan-1-one Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CN(C2=C1C=CC(=C2N)C3=CC=C(C=C3)S(=O)(=O)C)CC4CCCCC4

Isomeric SMILES

CC(C)C(=O)C1=CN(C2=C1C=CC(=C2N)C3=CC=C(C=C3)S(=O)(=O)C)CC4CCCCC4

InChI

InChI=1S/C26H32N2O3S/c1-17(2)26(29)23-16-28(15-18-7-5-4-6-8-18)25-22(23)14-13-21(24(25)27)19-9-11-20(12-10-19)32(3,30)31/h9-14,16-18H,4-8,15,27H2,1-3H3