N-[4-[(2S)-butan-2-yl]phenyl]-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[4-[(1S)-1-methylpropyl]phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[4-[(1S)-1-methylpropyl]phenyl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25ClN2O3S/c1-3-15(2)16-6-9-18(10-7-16)23-21(25)17-8-11-19(22)20(14-17)28(26,27)24-12-4-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,25)/t15-/m0/s1