3,4-dimethyl-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)aniline

Systemtic Name: 3,4-dimethyl-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)aniline Openeye Name: 3,4-dimethyl-N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]aniline CAS Name: 3,4-dimethyl-N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]aniline IUPAC Name: 3,4-dimethyl-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)aniline Traditional Name: (3,4-dimethylphenyl)-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O4S/c1-14-6-7-16(12-15(14)2)20-18-9-8-17(13-19(18)22(23)24)27(25,26)21-10-4-3-5-11-21/h6-9,12-13,20H,3-5,10-11H2,1-2H3