N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-pyrrolidinosulfonyl-benzamide Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O5S2/c1-19-11-12-21(18-23(19)34(31,32)27-13-4-2-3-5-14-27)25-24(28)20-9-8-10-22(17-20)33(29,30)26-15-6-7-16-26/h8-12,17-18H,2-7,13-16H2,1H3,(H,25,28)