4-(4-methylphenyl)sulfonyl-N-prop-2-ynyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-prop-2-ynyl-1,4-diazepane-1-carboxamide Openeye Name: N-prop-2-ynyl-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-prop-2-ynyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-prop-2-ynyl-1,4-diazepane-1-carboxamide Traditional Name: N-propargyl-4-tosyl-1,4-diazepane-1-carboxamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC#C

InChI

InChI=1S/C16H21N3O3S/c1-3-9-17-16(20)18-10-4-11-19(13-12-18)23(21,22)15-7-5-14(2)6-8-15/h1,5-8H,4,9-13H2,2H3,(H,17,20)