N-(3-methylbutan-2-yl)-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-(3-methylbutan-2-yl)-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-(1,2-dimethylpropyl)-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-(3-methylbutan-2-yl)-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-(3-methylbutan-2-yl)-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: 1,2-dimethylpropyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O4S/c1-12(2)13(3)17-15-8-7-14(11-16(15)19(20)21)24(22,23)18-9-5-4-6-10-18/h7-8,11-13,17H,4-6,9-10H2,1-3H3