2-chloranyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[[4-(1-imidazolyl)phenyl]methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(4-imidazol-1-ylbenzyl)-5-pyrrolidinosulfonyl-benzamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H21ClN4O3S/c22-20-8-7-18(30(28,29)26-10-1-2-11-26)13-19(20)21(27)24-14-16-3-5-17(6-4-16)25-12-9-23-15-25/h3-9,12-13,15H,1-2,10-11,14H2,(H,24,27)