[3-(azepan-1-ylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C23H31N3O3S2 MolecularWeight: 461.64054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C23H31N3O3S2/c27-23(25-12-7-11-24(15-16-25)19-21-9-6-17-30-21)20-8-5-10-22(18-20)31(28,29)26-13-3-1-2-4-14-26/h5-6,8-10,17-18H,1-4,7,11-16,19H2