[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-naphthalen-2-yl-methanone

Systemtic Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-naphthalen-2-yl-methanone Openeye Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-(2-naphthyl)methanone CAS Name: [4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-(2-naphthalenyl)methanone IUPAC Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-naphthalen-2-ylmethanone Traditional Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-(2-naphthyl)methanone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H23N3O4S/c1-15-20(16(2)28-22-15)29(26,27)24-11-5-10-23(12-13-24)21(25)19-9-8-17-6-3-4-7-18(17)14-19/h3-4,6-9,14H,5,10-13H2,1-2H3