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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-(1-pyrrolidinylmethyl)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(pyrrolidinomethyl)benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c28-24(21-9-7-20(8-10-21)19-26-15-5-6-16-26)25-22-11-13-23(14-12-22)31(29,30)27-17-3-1-2-4-18-27/h7-14H,1-6,15-19H2,(H,25,28)