N-hexyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-hexyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-hexyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-hexyl-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-hexyl-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: hexyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O4S/c1-2-3-4-5-10-17-15-9-8-14(13-16(15)19(20)21)24(22,23)18-11-6-7-12-18/h8-9,13,17H,2-7,10-12H2,1H3