[3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazino]methanone Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C23H29N3O4S/c27-22-11-4-3-10-21(22)24-14-16-25(17-15-24)23(28)19-8-7-9-20(18-19)31(29,30)26-12-5-1-2-6-13-26/h3-4,7-11,18,27H,1-2,5-6,12-17H2