N-[1-(4-ethylphenyl)ethyl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(4-ethylphenyl)ethyl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(4-ethylphenyl)ethyl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(4-ethylphenyl)ethyl]-1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(4-ethylphenyl)ethyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(4-ethylphenyl)ethyl]-1-(1-methylpyrrol-3-yl)sulfonyl-isonipecotamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

InChI

InChI=1S/C21H29N3O3S/c1-4-17-5-7-18(8-6-17)16(2)22-21(25)19-9-13-24(14-10-19)28(26,27)20-11-12-23(3)15-20/h5-8,11-12,15-16,19H,4,9-10,13-14H2,1-3H3,(H,22,25)