4-[(4-methylsulfonylphenyl)methyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(4-methylsulfonylphenyl)methyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-methylsulfonylphenyl)methyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-(4-mesylbenzyl)-1,4-diazepane-1-carboxamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C26H35N3O3S/c1-20(2)22-8-6-9-23(18-22)26(3,4)27-25(30)29-15-7-14-28(16-17-29)19-21-10-12-24(13-11-21)33(5,31)32/h6,8-13,18H,1,7,14-17,19H2,2-5H3,(H,27,30)