[4-(azepan-1-ylsulfonyl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C21H27N3O5S3 MolecularWeight: 497.65118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N3O5S3/c25-21(22-13-15-24(16-14-22)32(28,29)20-6-5-17-30-20)18-7-9-19(10-8-18)31(26,27)23-11-3-1-2-4-12-23/h5-10,17H,1-4,11-16H2