N-[1-[(2S)-butan-2-yl]-3-(3-chloranyl-4-cyano-phenyl)indol-6-yl]methanesulfonamide

Systemtic Name: N-[1-[(2S)-butan-2-yl]-3-(3-chloranyl-4-cyano-phenyl)indol-6-yl]methanesulfonamide Openeye Name: N-[3-(3-chloro-4-cyano-phenyl)-1-[(1S)-1-methylpropyl]indol-6-yl]methanesulfonamide CAS Name: N-[1-[(2S)-butan-2-yl]-3-(3-chloro-4-cyanophenyl)-6-indolyl]methanesulfonamide IUPAC Name: N-[1-[(2S)-butan-2-yl]-3-(3-chloro-4-cyanophenyl)indol-6-yl]methanesulfonamide Traditional Name: N-[3-(3-chloro-4-cyano-phenyl)-1-[(1S)-1-methylpropyl]indol-6-yl]methanesulfonamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C2=C1C=C(C=C2)NS(=O)(=O)C)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC[C@H](C)N1C=C(C2=C1C=C(C=C2)NS(=O)(=O)C)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-4-13(2)24-12-18(14-5-6-15(11-22)19(21)9-14)17-8-7-16(10-20(17)24)23-27(3,25)26/h5-10,12-13,23H,4H2,1-3H3/t13-/m0/s1