N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-pyrrolidinosulfonyl-benzamide Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H23N3O4S2/c1-32-20-10-7-9-19(17-20)28(25-26-22-12-2-3-13-23(22)33-25)24(29)18-8-6-11-21(16-18)34(30,31)27-14-4-5-15-27/h2-3,6-13,16-17H,4-5,14-15H2,1H3