azocan-1-yl-[2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]methanone

Systemtic Name: azocan-1-yl-[2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]methanone Openeye Name: azocan-1-yl-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]methanone CAS Name: 1-azocanyl-[2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]methanone IUPAC Name: azocan-1-yl-[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone Traditional Name: azocan-1-yl-[2-chloro-5-(4-phenylpiperazino)sulfonyl-phenyl]methanone Formula: C24H30ClN3O3S MolecularWeight: 476.0313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H30ClN3O3S/c25-23-12-11-21(19-22(23)24(29)27-13-7-2-1-3-8-14-27)32(30,31)28-17-15-26(16-18-28)20-9-5-4-6-10-20/h4-6,9-12,19H,1-3,7-8,13-18H2