N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide Formula: C28H31N3O5S2 MolecularWeight: 553.69284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C28H31N3O5S2/c32-28(29-24-11-7-12-26(21-24)37(33,34)30-18-5-1-2-6-19-30)23-14-16-25(17-15-23)38(35,36)31-20-8-10-22-9-3-4-13-27(22)31/h3-4,7,9,11-17,21H,1-2,5-6,8,10,18-20H2,(H,29,32)