4-[3-[4-(phenylmethyl)piperidin-1-yl]propylsulfonyl]aniline

Systemtic Name: 4-[3-[4-(phenylmethyl)piperidin-1-yl]propylsulfonyl]aniline Openeye Name: 4-[3-(4-benzyl-1-piperidyl)propylsulfonyl]aniline CAS Name: 4-[3-[4-(phenylmethyl)-1-piperidinyl]propylsulfonyl]aniline IUPAC Name: 4-[3-(4-benzylpiperidin-1-yl)propylsulfonyl]aniline Traditional Name: [4-[3-(4-benzylpiperidino)propylsulfonyl]phenyl]amine Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCS(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCS(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H28N2O2S/c22-20-7-9-21(10-8-20)26(24,25)16-4-13-23-14-11-19(12-15-23)17-18-5-2-1-3-6-18/h1-3,5-10,19H,4,11-17,22H2