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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(pyrrolidinomethyl)benzyl]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C25H33N3O3S/c29-25(26-19-21-10-12-22(13-11-21)20-27-14-5-6-15-27)23-8-7-9-24(18-23)32(30,31)28-16-3-1-2-4-17-28/h7-13,18H,1-6,14-17,19-20H2,(H,26,29)