N-(2-azanylethyl)-1-(3-phenylpropanoyl)-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-phenylpropanoyl)-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-phenylpropanoyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(1-oxo-3-phenylpropyl)-4-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-phenylpropanoyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-hydrocinnamoyl-4-(2-thienylsulfonyl)piperazine-2-carboxamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S2/c21-10-11-22-20(26)17-15-23(30(27,28)19-7-4-14-29-19)12-13-24(17)18(25)9-8-16-5-2-1-3-6-16/h1-7,14,17H,8-13,15,21H2,(H,22,26)