4-[(4-methylsulfonylphenyl)methyl]-N-propyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(4-methylsulfonylphenyl)methyl]-N-propyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-methylsulfonylphenyl)methyl]-N-propyl-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-methylsulfonylphenyl)methyl]-N-propyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-methylsulfonylphenyl)methyl]-N-propyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-mesylbenzyl)-N-propyl-1,4-diazepane-1-carboxamide Formula: C17H27N3O3S MolecularWeight: 353.47958

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCNC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H27N3O3S/c1-3-9-18-17(21)20-11-4-10-19(12-13-20)14-15-5-7-16(8-6-15)24(2,22)23/h5-8H,3-4,9-14H2,1-2H3,(H,18,21)