4-[(3S)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonyl-N,N-diethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[(3S)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonyl-N,N-diethyl-piperazine-1-sulfonamide Openeye Name: 4-[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]-N,N-diethyl-piperazine-1-sulfonamide CAS Name: 4-[[(3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]-N,N-diethyl-1-piperazinesulfonamide IUPAC Name: 4-[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]-N,N-diethylpiperazine-1-sulfonamide Traditional Name: 4-[(3S)-1-(4-chlorobenzoyl)nipecotoyl]-N,N-diethyl-piperazine-1-sulfonamide Formula: C21H31ClN4O4S MolecularWeight: 471.01324

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H31ClN4O4S/c1-3-25(4-2)31(29,30)26-14-12-23(13-15-26)21(28)18-6-5-11-24(16-18)20(27)17-7-9-19(22)10-8-17/h7-10,18H,3-6,11-16H2,1-2H3/t18-/m0/s1