N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-(p-tolylsulfonylamino)ethyl]benzamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[2-(tosylamino)ethyl]benzamide Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S/c1-12-5-7-15(8-6-12)25(23,24)18-10-9-17-16(20)13-3-2-4-14(11-13)19(21)22/h2-8,11,18H,9-10H2,1H3,(H,17,20)