ethyl 4-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-methyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-methyl-butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-methyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-methyl-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-methyl-butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25Cl2N3O5S MolecularWeight: 466.3792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H25Cl2N3O5S/c1-4-28-18(25)23-9-7-22(8-10-23)17(24)16(12(2)3)21-29(26,27)13-5-6-14(19)15(20)11-13/h5-6,11-12,16,21H,4,7-10H2,1-3H3/t16-/m0/s1