N-tert-butyl-3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-[(E)-cinnamyl]piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzenesulfonamide Traditional Name: N-tert-butyl-4-[4-[(E)-cinnamyl]piperazino]-3-nitro-benzenesulfonamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C/C=C/C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O4S/c1-23(2,3)24-32(30,31)20-11-12-21(22(18-20)27(28)29)26-16-14-25(15-17-26)13-7-10-19-8-5-4-6-9-19/h4-12,18,24H,13-17H2,1-3H3/b10-7+