N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-2-pyrrolyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H30N5O4S2+ MolecularWeight: 480.624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)CCCOC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)CCCOC)C

InChI

InChI=1S/C21H29N5O4S2/c1-16-17(2)26(7-5-12-30-3)21(18(16)14-22)23-19(27)15-24-8-10-25(11-9-24)32(28,29)20-6-4-13-31-20/h4,6,13H,5,7-12,15H2,1-3H3,(H,23,27)/p+1