4-[[(2S)-2-[bis(prop-2-enyl)amino]-3-methyl-butyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(2S)-2-[bis(prop-2-enyl)amino]-3-methyl-butyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2S)-2-(diallylamino)-3-methyl-butyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2S)-2-[bis(prop-2-enyl)amino]-3-methylbutyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2S)-2-[bis(prop-2-enyl)amino]-3-methylbutyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2S)-2-(diallylamino)-3-methyl-butyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])N(CC=C)CC=C

Isomeric SMILES

CC(C)[C@@H](CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])N(CC=C)CC=C

InChI

InChI=1S/C18H28N4O4S/c1-6-10-21(11-7-2)18(14(3)4)13-20-16-9-8-15(27(25,26)19-5)12-17(16)22(23)24/h6-9,12,14,18-20H,1-2,10-11,13H2,3-5H3/t18-/m1/s1