methyl N-[(2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]propanoyl]carbamic acid methyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@H](C)C(=O)NC(=O)OC)C

InChI

InChI=1S/C17H25N3O5S/c1-12-5-6-15(11-13(12)2)26(23,24)20-9-7-19(8-10-20)14(3)16(21)18-17(22)25-4/h5-6,11,14H,7-10H2,1-4H3,(H,18,21,22)/t14-/m1/s1