N-(2-azanylethyl)-N-phenyl-1-(3-phenylpropylsulfanyl)heptane-1-sulfonamide; benzoic acid

Systemtic Name: N-(2-azanylethyl)-N-phenyl-1-(3-phenylpropylsulfanyl)heptane-1-sulfonamide; benzoic acid Openeye Name: N-(2-aminoethyl)-N-phenyl-1-(3-phenylpropylsulfanyl)heptane-1-sulfonamide; benzoic acid CAS Name: N-(2-aminoethyl)-N-phenyl-1-(3-phenylpropylthio)-1-heptanesulfonamide; benzoic acid IUPAC Name: N-(2-aminoethyl)-N-phenyl-1-(3-phenylpropylsulfanyl)heptane-1-sulfonamide; benzoic acid Traditional Name: N-(2-aminoethyl)-N-phenyl-1-(3-phenylpropylthio)heptane-1-sulfonamide; benzoic acid Formula: C31H42N2O4S2 MolecularWeight: 570.80618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(SCCCC1=CC=CC=C1)S(=O)(=O)N(CCN)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCC(SCCCC1=CC=CC=C1)S(=O)(=O)N(CCN)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C24H36N2O2S2.C7H6O2/c1-2-3-4-11-18-24(29-21-12-15-22-13-7-5-8-14-22)30(27,28)26(20-19-25)23-16-9-6-10-17-23;8-7(9)6-4-2-1-3-5-6/h5-10,13-14,16-17,24H,2-4,11-12,15,18-21,25H2,1H3;1-5H,(H,8,9)