N-cycloheptyl-3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-cycloheptyl-3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-cycloheptyl-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide CAS Name: N-cycloheptyl-3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]propanamide IUPAC Name: N-cycloheptyl-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-cycloheptyl-3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)propionamide Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

Isomeric SMILES

C1CCCC(CC1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

InChI

InChI=1S/C21H29N3O5S/c25-20(22-16-7-3-1-2-4-8-16)11-14-24-18-10-9-17(15-19(18)29-21(24)26)30(27,28)23-12-5-6-13-23/h9-10,15-16H,1-8,11-14H2,(H,22,25)