(2S)-2-[(4-chlorophenyl)sulfonyl-(piperidin-4-ylmethyl)amino]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[(4-chlorophenyl)sulfonyl-(piperidin-4-ylmethyl)amino]-4-methyl-pentanamide Openeye Name: (2S)-2-[(4-chlorophenyl)sulfonyl-(4-piperidylmethyl)amino]-4-methyl-pentanamide CAS Name: (2S)-2-[(4-chlorophenyl)sulfonyl-(4-piperidinylmethyl)amino]-4-methylpentanamide IUPAC Name: (2S)-2-[(4-chlorophenyl)sulfonyl-(piperidin-4-ylmethyl)amino]-4-methylpentanamide Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonyl-(4-piperidylmethyl)amino]-4-methyl-valeramide Formula: C18H28ClN3O3S MolecularWeight: 401.95122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)N(CC1CCNCC1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)N(CC1CCNCC1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H28ClN3O3S/c1-13(2)11-17(18(20)23)22(12-14-7-9-21-10-8-14)26(24,25)16-5-3-15(19)4-6-16/h3-6,13-14,17,21H,7-12H2,1-2H3,(H2,20,23)/t17-/m0/s1