N-cyclopropyl-5-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]furan-2-sulfonamide

Systemtic Name: N-cyclopropyl-5-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]furan-2-sulfonamide Openeye Name: N-cyclopropyl-5-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]furan-2-sulfonamide CAS Name: N-cyclopropyl-5-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2-furansulfonamide IUPAC Name: N-cyclopropyl-5-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]furan-2-sulfonamide Traditional Name: N-cyclopropyl-5-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]furan-2-sulfonamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC=C(O3)S(=O)(=O)NC4CC4

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC=C(O3)S(=O)(=O)NC4CC4

InChI

InChI=1S/C21H27N3O4S/c1-16-5-2-3-6-17(16)15-23-11-4-12-24(14-13-23)21(25)19-9-10-20(28-19)29(26,27)22-18-7-8-18/h2-3,5-6,9-10,18,22H,4,7-8,11-15H2,1H3