N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3,5-dimethylisoxazol-4-yl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(3,5-dimethyl-4-isoxazolyl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3,5-dimethylisoxazol-4-yl)propionamide Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

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