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

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-thenyl)piperazino]methanone Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H29N3O3S2/c26-22(24-14-12-23(13-15-24)18-20-8-6-16-29-20)19-7-5-9-21(17-19)30(27,28)25-10-3-1-2-4-11-25/h5-9,16-17H,1-4,10-15,18H2