1-cyano-3-[2-[(3-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-2-propan-2-yl-guanidine

Systemtic Name: 1-cyano-3-[2-[(3-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-2-propan-2-yl-guanidine Openeye Name: 1-cyano-2-isopropyl-3-[2-(3-methylanilino)-5-nitro-phenyl]sulfonyl-guanidine CAS Name: 1-cyano-3-[2-(3-methylanilino)-5-nitrophenyl]sulfonyl-2-propan-2-ylguanidine IUPAC Name: 1-cyano-3-[2-(3-methylanilino)-5-nitrophenyl]sulfonyl-2-propan-2-ylguanidine Traditional Name: 1-cyano-2-isopropyl-3-[2-(m-toluidino)-5-nitro-phenyl]sulfonyl-guanidine Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=NC(C)C)NC#N

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=NC(C)C)NC#N

InChI

InChI=1S/C18H20N6O4S/c1-12(2)21-18(20-11-19)23-29(27,28)17-10-15(24(25)26)7-8-16(17)22-14-6-4-5-13(3)9-14/h4-10,12,22H,1-3H3,(H2,20,21,23)