N-cyclopropyl-2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]carbonyl]thiophene-3-sulfonamide

Systemtic Name: N-cyclopropyl-2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]carbonyl]thiophene-3-sulfonamide Openeye Name: N-cyclopropyl-2-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]thiophene-3-sulfonamide CAS Name: N-cyclopropyl-2-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-oxomethyl]-3-thiophenesulfonamide IUPAC Name: N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carbonyl]thiophene-3-sulfonamide Traditional Name: N-cyclopropyl-2-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]thiophene-3-sulfonamide Formula: C18H24N4O6S3 MolecularWeight: 488.60136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)NC4CC4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)NC4CC4

InChI

InChI=1S/C18H24N4O6S3/c1-12-17(13(2)28-19-12)31(26,27)22-8-3-7-21(9-10-22)18(23)16-15(6-11-29-16)30(24,25)20-14-4-5-14/h6,11,14,20H,3-5,7-10H2,1-2H3