N-[1-(1-naphthalen-1-ylethylamino)-3-phenyl-propan-2-yl]-4-nitro-benzenesulfonamide chloride

Systemtic Name: N-[1-(1-naphthalen-1-ylethylamino)-3-phenyl-propan-2-yl]-4-nitro-benzenesulfonamide chloride Openeye Name: N-[1-benzyl-2-[1-(1-naphthyl)ethylamino]ethyl]-4-nitro-benzenesulfonamide chloride CAS Name: N-[1-[1-(1-naphthalenyl)ethylamino]-3-phenylpropan-2-yl]-4-nitrobenzenesulfonamide chloride IUPAC Name: N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]-4-nitrobenzenesulfonamide chloride Traditional Name: N-[1-benzyl-2-[1-(1-naphthyl)ethylamino]ethyl]-4-nitro-benzenesulfonamide chloride Formula: C27H27ClN3O4S- MolecularWeight: 525.03898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C27H27N3O4S.ClH/c1-20(26-13-7-11-22-10-5-6-12-27(22)26)28-19-23(18-21-8-3-2-4-9-21)29-35(33,34)25-16-14-24(15-17-25)30(31)32;/h2-17,20,23,28-29H,18-19H2,1H3;1H/p-1