5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-prop-2-enyl-aniline

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-prop-2-enyl-aniline Openeye Name: N-allyl-5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-nitro-N-prop-2-enylaniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-prop-2-enylaniline Traditional Name: allyl-[5-(4-brosylpiperazino)-2-nitro-phenyl]amine Formula: C19H21BrN4O4S MolecularWeight: 481.36344

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H21BrN4O4S/c1-2-9-21-18-14-16(5-8-19(18)24(25)26)22-10-12-23(13-11-22)29(27,28)17-6-3-15(20)4-7-17/h2-8,14,21H,1,9-13H2