N-[(2S)-butan-2-yl]-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzamide Openeye Name: 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]-N-[(1S)-1-methylpropyl]benzamide CAS Name: N-[(2S)-butan-2-yl]-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzamide Traditional Name: 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]-N-[(1S)-1-methylpropyl]benzamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O5S/c1-4-13(3)19-18(22)15-7-5-6-8-16(15)20-27(25,26)17-11-14(21(23)24)10-9-12(17)2/h5-11,13,20H,4H2,1-3H3,(H,19,22)/t13-/m0/s1