N-[1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide

Systemtic Name: N-[1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide Openeye Name: N-[1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide CAS Name: N-[1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethyl]-8-ethoxy-5-quinolinesulfonamide IUPAC Name: N-[1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethyl]-8-ethoxyquinoline-5-sulfonamide Traditional Name: N-[1-[4-(4-chlorobenzyl)-1,4-diazepan-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide Formula: C25H31ClN4O3S MolecularWeight: 503.05664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)NC(C)N3CCCN(CC3)CC4=CC=C(C=C4)Cl)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)NC(C)N3CCCN(CC3)CC4=CC=C(C=C4)Cl)C=CC=N2

InChI

InChI=1S/C25H31ClN4O3S/c1-3-33-23-11-12-24(22-6-4-13-27-25(22)23)34(31,32)28-19(2)30-15-5-14-29(16-17-30)18-20-7-9-21(26)10-8-20/h4,6-13,19,28H,3,5,14-18H2,1-2H3