6-chloranyl-N-(cyanomethyl)-N-[(3S)-2-oxidanylidene-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide

Systemtic Name: 6-chloranyl-N-(cyanomethyl)-N-[(3S)-2-oxidanylidene-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide Openeye Name: 6-chloro-N-(cyanomethyl)-N-[(3S)-1-(1-isopropyl-4-piperidyl)-2-oxo-3-piperidyl]benzothiophene-2-sulfonamide CAS Name: 6-chloro-N-(cyanomethyl)-N-[(3S)-2-oxo-1-(1-propan-2-yl-4-piperidinyl)-3-piperidinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 6-chloro-N-(cyanomethyl)-N-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide Traditional Name: 6-chloro-N-(cyanomethyl)-N-[(3S)-1-(1-isopropyl-4-piperidyl)-2-keto-3-piperidyl]benzothiophene-2-sulfonamide Formula: C23H29ClN4O3S2 MolecularWeight: 509.08436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)N2CCCC(C2=O)N(CC#N)S(=O)(=O)C3=CC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)N1CCC(CC1)N2CCC[C@@H](C2=O)N(CC#N)S(=O)(=O)C3=CC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C23H29ClN4O3S2/c1-16(2)26-11-7-19(8-12-26)27-10-3-4-20(23(27)29)28(13-9-25)33(30,31)22-14-17-5-6-18(24)15-21(17)32-22/h5-6,14-16,19-20H,3-4,7-8,10-13H2,1-2H3/t20-/m0/s1