4-(4-methylphenyl)sulfonyl-N-pentan-3-yl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-pentan-3-yl-1,4-diazepane-1-carboxamide Openeye Name: N-(1-ethylpropyl)-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-pentan-3-yl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-pentan-3-yl-1,4-diazepane-1-carboxamide Traditional Name: N-(1-ethylpropyl)-4-tosyl-1,4-diazepane-1-carboxamide Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CC)NC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

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