azepan-1-yl-[2-methoxy-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]methanone

Systemtic Name: azepan-1-yl-[2-methoxy-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]methanone Openeye Name: azepan-1-yl-[2-methoxy-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]methanone CAS Name: 1-azepanyl-[2-methoxy-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]methanone IUPAC Name: azepan-1-yl-[2-methoxy-5-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone Traditional Name: azepan-1-yl-[2-methoxy-5-(4-phenylpiperazino)sulfonyl-phenyl]methanone Formula: C24H31N3O4S MolecularWeight: 457.58564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O4S/c1-31-23-12-11-21(19-22(23)24(28)26-13-7-2-3-8-14-26)32(29,30)27-17-15-25(16-18-27)20-9-5-4-6-10-20/h4-6,9-12,19H,2-3,7-8,13-18H2,1H3