2,4-dimethyl-N-[(2S)-1-(3-methylindol-1-yl)butan-2-yl]-6-nitro-benzenesulfonamide

Systemtic Name: 2,4-dimethyl-N-[(2S)-1-(3-methylindol-1-yl)butan-2-yl]-6-nitro-benzenesulfonamide Openeye Name: 2,4-dimethyl-N-[(1S)-1-[(3-methylindol-1-yl)methyl]propyl]-6-nitro-benzenesulfonamide CAS Name: 2,4-dimethyl-N-[(2S)-1-(3-methyl-1-indolyl)butan-2-yl]-6-nitrobenzenesulfonamide IUPAC Name: 2,4-dimethyl-N-[(2S)-1-(3-methylindol-1-yl)butan-2-yl]-6-nitrobenzenesulfonamide Traditional Name: 2,4-dimethyl-N-[(1S)-1-[(3-methylindol-1-yl)methyl]propyl]-6-nitro-benzenesulfonamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=CC=CC=C21)C)NS(=O)(=O)C3=C(C=C(C=C3[N+](=O)[O-])C)C

Isomeric SMILES

CC[C@@H](CN1C=C(C2=CC=CC=C21)C)NS(=O)(=O)C3=C(C=C(C=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C21H25N3O4S/c1-5-17(13-23-12-16(4)18-8-6-7-9-19(18)23)22-29(27,28)21-15(3)10-14(2)11-20(21)24(25)26/h6-12,17,22H,5,13H2,1-4H3/t17-/m0/s1