N-(2-diethylaminoethyl)-4-(phenylsulfonyl)azepane-1-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-4-(phenylsulfonyl)azepane-1-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)azepane-1-carboxamide CAS Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-1-azepanecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)azepane-1-carboxamide Traditional Name: 4-besyl-N-(2-diethylaminoethyl)azepane-1-carboxamide Formula: C19H31N3O3S MolecularWeight: 381.53274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N1CCCC(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCNC(=O)N1CCCC(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H31N3O3S/c1-3-21(4-2)16-13-20-19(23)22-14-8-11-18(12-15-22)26(24,25)17-9-6-5-7-10-17/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3,(H,20,23)