4-[13-(4-chlorophenyl)tridec-12-ynylamino]-N-methylsulfonyl-benzamide

Systemtic Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]-N-methylsulfonyl-benzamide Openeye Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]-N-methylsulfonyl-benzamide CAS Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]-N-methylsulfonylbenzamide IUPAC Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]-N-methylsulfonylbenzamide Traditional Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]-N-mesyl-benzamide Formula: C27H35ClN2O3S MolecularWeight: 503.0964

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)NC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C27H35ClN2O3S/c1-34(32,33)30-27(31)24-16-20-26(21-17-24)29-22-12-10-8-6-4-2-3-5-7-9-11-13-23-14-18-25(28)19-15-23/h14-21,29H,2-10,12,22H2,1H3,(H,30,31)