methyl (1S,2R,3S)-2-cyano-3-methyl-2-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylate

Systemtic Name: methyl (1S,2R,3S)-2-cyano-3-methyl-2-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylate Openeye Name: methyl (1S,2R,3S)-2-cyano-3-methyl-2-[[3-(1-piperidylsulfonyl)phenyl]carbamoyl]cyclopropanecarboxylate CAS Name: (1S,2R,3S)-2-cyano-3-methyl-2-[oxo-[3-(1-piperidinylsulfonyl)anilino]methyl]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,3S)-2-cyano-3-methyl-2-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylate Traditional Name: (1S,2R,3S)-2-cyano-3-methyl-2-[(3-piperidinosulfonylphenyl)carbamoyl]cyclopropanecarboxylic acid methyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C1(C#N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C(=O)OC

Isomeric SMILES

C[C@H]1[C@@H]([C@]1(C#N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C19H23N3O5S/c1-13-16(17(23)27-2)19(13,12-20)18(24)21-14-7-6-8-15(11-14)28(25,26)22-9-4-3-5-10-22/h6-8,11,13,16H,3-5,9-10H2,1-2H3,(H,21,24)/t13-,16+,19+/m0/s1