[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-[4-(1-piperidyl)-1-piperidyl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-chlorophenyl]-[4-(1-piperidinyl)-1-piperidinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-(4-piperidinopiperidino)methanone Formula: C23H34ClN3O3S MolecularWeight: 468.05236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC(CC3)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C23H34ClN3O3S/c24-22-9-8-20(31(29,30)27-14-6-1-2-7-15-27)18-21(22)23(28)26-16-10-19(11-17-26)25-12-4-3-5-13-25/h8-9,18-19H,1-7,10-17H2