2-chloranyl-N-[4-(2-methylpropanoylamino)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-(2-methylpropanoylamino)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[4-(2-methylpropanoylamino)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[4-(2-methylpropanoylamino)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[4-(isobutyrylamino)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H24ClN3O4S/c1-14(2)20(26)23-15-5-7-16(8-6-15)24-21(27)18-13-17(9-10-19(18)22)30(28,29)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,26)(H,24,27)