N-butyl-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-butyl-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-butyl-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-butyl-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-butyl-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: butyl-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C)[N+](=O)[O-]

InChI

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