N-[4-[bis(prop-2-ynyl)carbamoyl]phenyl]sulfonyl-5-chloranyl-2-methyl-benzamide

Systemtic Name: N-[4-[bis(prop-2-ynyl)carbamoyl]phenyl]sulfonyl-5-chloranyl-2-methyl-benzamide Openeye Name: N-[4-[bis(prop-2-ynyl)carbamoyl]phenyl]sulfonyl-5-chloro-2-methyl-benzamide CAS Name: N-[4-[[bis(prop-2-ynyl)amino]-oxomethyl]phenyl]sulfonyl-5-chloro-2-methylbenzamide IUPAC Name: N-[4-[bis(prop-2-ynyl)carbamoyl]phenyl]sulfonyl-5-chloro-2-methylbenzamide Traditional Name: 5-chloro-N-[4-(dipropargylcarbamoyl)phenyl]sulfonyl-2-methyl-benzamide Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC#C)CC#C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC#C)CC#C

InChI

InChI=1S/C21H17ClN2O4S/c1-4-12-24(13-5-2)21(26)16-7-10-18(11-8-16)29(27,28)23-20(25)19-14-17(22)9-6-15(19)3/h1-2,6-11,14H,12-13H2,3H3,(H,23,25)