N,4-dibutyl-3-nitro-N-(1-phenylpropyl)-2-(3-phenylpropylamino)benzenesulfonamide

Systemtic Name: N,4-dibutyl-3-nitro-N-(1-phenylpropyl)-2-(3-phenylpropylamino)benzenesulfonamide Openeye Name: N,4-dibutyl-3-nitro-N-(1-phenylpropyl)-2-(3-phenylpropylamino)benzenesulfonamide CAS Name: N,4-dibutyl-3-nitro-N-(1-phenylpropyl)-2-(3-phenylpropylamino)benzenesulfonamide IUPAC Name: N,4-dibutyl-3-nitro-N-(1-phenylpropyl)-2-(3-phenylpropylamino)benzenesulfonamide Traditional Name: N,4-dibutyl-3-nitro-N-(1-phenylpropyl)-2-(3-phenylpropylamino)benzenesulfonamide Formula: C32H43N3O4S MolecularWeight: 565.76652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)S(=O)(=O)N(CCCC)C(CC)C2=CC=CC=C2)NCCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)S(=O)(=O)N(CCCC)C(CC)C2=CC=CC=C2)NCCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C32H43N3O4S/c1-4-7-19-28-22-23-30(31(32(28)35(36)37)33-24-15-18-26-16-11-9-12-17-26)40(38,39)34(25-8-5-2)29(6-3)27-20-13-10-14-21-27/h9-14,16-17,20-23,29,33H,4-8,15,18-19,24-25H2,1-3H3