N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-[(4-methoxyphenyl)carbamoylamino]propanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-[(4-methoxyphenyl)carbamoylamino]propanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-[(4-methoxyphenyl)carbamoylamino]propanamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-[[(4-methoxyanilino)-oxomethyl]amino]propanamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-[(4-methoxyphenyl)carbamoylamino]propanamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-[(4-methoxyphenyl)carbamoylamino]propionamide Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25ClN4O5S/c1-31-17-7-4-15(5-8-17)25-21(28)23-11-10-20(27)24-16-6-9-18(22)19(14-16)32(29,30)26-12-2-3-13-26/h4-9,14H,2-3,10-13H2,1H3,(H,24,27)(H2,23,25,28)