N-[(2S)-5-methylhexan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-3-(4-piperidinosulfonylphenyl)propionamide Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C21H34N2O3S/c1-17(2)7-8-18(3)22-21(24)14-11-19-9-12-20(13-10-19)27(25,26)23-15-5-4-6-16-23/h9-10,12-13,17-18H,4-8,11,14-16H2,1-3H3,(H,22,24)/t18-/m0/s1