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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-[4-(4-hydroxyphenyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(4-hydroxyphenyl)piperazino]methanone Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4S/c24-21-10-5-18(17-22(21)32(30,31)27-11-3-1-2-4-12-27)23(29)26-15-13-25(14-16-26)19-6-8-20(28)9-7-19/h5-10,17,28H,1-4,11-16H2