N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-pyrrol-1-yl-thiophene-2-carboxamide

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-pyrrol-1-yl-thiophene-2-carboxamide Openeye Name: N-[1-(p-tolylsulfonyl)-4-piperidyl]-3-pyrrol-1-yl-thiophene-2-carboxamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-pyrrol-1-ylthiophene-2-carboxamide Traditional Name: 3-pyrrol-1-yl-N-(1-tosyl-4-piperidyl)thiophene-2-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c1-16-4-6-18(7-5-16)29(26,27)24-13-8-17(9-14-24)22-21(25)20-19(10-15-28-20)23-11-2-3-12-23/h2-7,10-12,15,17H,8-9,13-14H2,1H3,(H,22,25)