N2-(2-azanylethyl)-N1-(4-methylphenyl)-4-thiophen-2-ylsulfonyl-piperazine-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(4-methylphenyl)-4-thiophen-2-ylsulfonyl-piperazine-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(p-tolyl)-4-(2-thienylsulfonyl)piperazine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(p-tolyl)-4-(2-thienylsulfonyl)piperazine-1,2-dicarboxamide Formula: C19H25N5O4S2 MolecularWeight: 451.5629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2C(=O)NCCN)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2C(=O)NCCN)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H25N5O4S2/c1-14-4-6-15(7-5-14)22-19(26)24-11-10-23(13-16(24)18(25)21-9-8-20)30(27,28)17-3-2-12-29-17/h2-7,12,16H,8-11,13,20H2,1H3,(H,21,25)(H,22,26)