6-chloranyl-N-cyano-N-[(3S)-1-(1-cyanopiperidin-4-yl)-2-oxidanylidene-pyrrolidin-3-yl]naphthalene-2-sulfonamide

Systemtic Name: 6-chloranyl-N-cyano-N-[(3S)-1-(1-cyanopiperidin-4-yl)-2-oxidanylidene-pyrrolidin-3-yl]naphthalene-2-sulfonamide Openeye Name: 6-chloro-N-cyano-N-[(3S)-1-(1-cyano-4-piperidyl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide CAS Name: 6-chloro-N-cyano-N-[(3S)-1-(1-cyano-4-piperidinyl)-2-oxo-3-pyrrolidinyl]-2-naphthalenesulfonamide IUPAC Name: 6-chloro-N-cyano-N-[(3S)-1-(1-cyanopiperidin-4-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide Traditional Name: 6-chloro-N-cyano-N-[(3S)-1-(1-cyano-4-piperidyl)-2-keto-pyrrolidin-3-yl]naphthalene-2-sulfonamide Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(C2=O)N(C#N)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C#N

Isomeric SMILES

C1CN(C(=O)[C@H]1N(C#N)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C4CCN(CC4)C#N

InChI

InChI=1S/C21H20ClN5O3S/c22-17-3-1-16-12-19(4-2-15(16)11-17)31(29,30)27(14-24)20-7-10-26(21(20)28)18-5-8-25(13-23)9-6-18/h1-4,11-12,18,20H,5-10H2/t20-/m0/s1