4-methyl-N-(phenylmethyl)-N-[(E)-12-pyridin-3-yltridec-2-enyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-(phenylmethyl)-N-[(E)-12-pyridin-3-yltridec-2-enyl]benzenesulfonamide Openeye Name: N-benzyl-4-methyl-N-[(E)-12-(3-pyridyl)tridec-2-enyl]benzenesulfonamide CAS Name: 4-methyl-N-(phenylmethyl)-N-[(E)-12-(3-pyridinyl)tridec-2-enyl]benzenesulfonamide IUPAC Name: N-benzyl-4-methyl-N-[(E)-12-pyridin-3-yltridec-2-enyl]benzenesulfonamide Traditional Name: N-benzyl-4-methyl-N-[(E)-12-(3-pyridyl)tridec-2-enyl]benzenesulfonamide Formula: C32H42N2O2S MolecularWeight: 518.75308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=CCCCCCCCCC(C)C2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C/CCCCCCCCC(C)C2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C32H42N2O2S/c1-28-20-22-32(23-21-28)37(35,36)34(27-30-17-12-10-13-18-30)25-14-9-7-5-3-4-6-8-11-16-29(2)31-19-15-24-33-26-31/h9-10,12-15,17-24,26,29H,3-8,11,16,25,27H2,1-2H3/b14-9+