N,N-diethyl-4-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[3-[(2S)-2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[3-keto-3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]propyl]benzenesulfonamide Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCCC[C@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H36N2O4S/c1-4-27(5-2)33(30,31)24-17-10-21(11-18-24)12-19-26(29)28-20-8-6-7-9-25(28)22-13-15-23(32-3)16-14-22/h10-11,13-18,25H,4-9,12,19-20H2,1-3H3/t25-/m0/s1