N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Systemtic Name: N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Openeye Name: N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: N-[3-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]-3,5-dimethyl-4-isoxazolesulfonamide IUPAC Name: N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-[3-keto-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)N2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N3O5S/c1-15-21(16(2)29-23-15)30(26,27)22-13-12-20(25)24-14-6-4-5-7-19(24)17-8-10-18(28-3)11-9-17/h8-11,19,22H,4-7,12-14H2,1-3H3/t19-/m1/s1