N-[(1R)-1-(4-methylphenyl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 2-nitro-N-[(1R)-1-(p-tolyl)propyl]-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-[(1R)-1-(p-tolyl)propyl]amine Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-3-18(16-8-6-15(2)7-9-16)21-19-11-10-17(14-20(19)23(24)25)28(26,27)22-12-4-5-13-22/h6-11,14,18,21H,3-5,12-13H2,1-2H3/t18-/m1/s1