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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-thenyl)piperazino]methanone Formula: C22H28ClN3O3S2 MolecularWeight: 482.05902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S2/c23-20-8-7-18(16-21(20)31(28,29)26-9-3-1-2-4-10-26)22(27)25-13-11-24(12-14-25)17-19-6-5-15-30-19/h5-8,15-16H,1-4,9-14,17H2