4-(4-methylphenyl)sulfonyl-N-pentyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-pentyl-1,4-diazepane-1-carboxamide Openeye Name: N-pentyl-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-pentyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-pentyl-1,4-diazepane-1-carboxamide Traditional Name: N-amyl-4-tosyl-1,4-diazepane-1-carboxamide Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCNC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H29N3O3S/c1-3-4-5-11-19-18(22)20-12-6-13-21(15-14-20)25(23,24)17-9-7-16(2)8-10-17/h7-10H,3-6,11-15H2,1-2H3,(H,19,22)