N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyrrol-1-yl-thiophene-2-carboxamide

Systemtic Name: N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyrrol-1-yl-thiophene-2-carboxamide Openeye Name: N-[[4-(1-piperidylsulfonyl)phenyl]methyl]-3-pyrrol-1-yl-thiophene-2-carboxamide CAS Name: N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide IUPAC Name: N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide Traditional Name: N-(4-piperidinosulfonylbenzyl)-3-pyrrol-1-yl-thiophene-2-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c25-21(20-19(10-15-28-20)23-11-4-5-12-23)22-16-17-6-8-18(9-7-17)29(26,27)24-13-2-1-3-14-24/h4-12,15H,1-3,13-14,16H2,(H,22,25)