N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-ketopyrrolidino)benzenesulfonamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S2/c1-18-8-9-19(17-22(18)33(30,31)25-14-4-2-3-5-15-25)24-32(28,29)21-12-10-20(11-13-21)26-16-6-7-23(26)27/h8-13,17,24H,2-7,14-16H2,1H3