N-[3-(dipropylamino)-2-oxidanyl-propyl]-4-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: N-[3-(dipropylamino)-2-oxidanyl-propyl]-4-nitro-N-phenyl-benzenesulfonamide Openeye Name: N-[3-(dipropylamino)-2-hydroxy-propyl]-4-nitro-N-phenyl-benzenesulfonamide CAS Name: N-[3-(dipropylamino)-2-hydroxypropyl]-4-nitro-N-phenylbenzenesulfonamide IUPAC Name: N-[3-(dipropylamino)-2-hydroxypropyl]-4-nitro-N-phenylbenzenesulfonamide Traditional Name: N-[3-(dipropylamino)-2-hydroxy-propyl]-4-nitro-N-phenyl-benzenesulfonamide Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC(CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCN(CCC)CC(CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H29N3O5S/c1-3-14-22(15-4-2)16-20(25)17-23(18-8-6-5-7-9-18)30(28,29)21-12-10-19(11-13-21)24(26)27/h5-13,20,25H,3-4,14-17H2,1-2H3