2-ethoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-2-yl]benzamide

Systemtic Name: 2-ethoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 2-ethoxy-N-[(1S)-2-methyl-1-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)butan-2-yl]benzamide IUPAC Name: 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: 2-ethoxy-N-[(1S)-2-methyl-1-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]propyl]benzamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O5S2/c1-4-30-18-9-6-5-8-17(18)21(26)23-20(16(2)3)22(27)24-11-13-25(14-12-24)32(28,29)19-10-7-15-31-19/h5-10,15-16,20H,4,11-14H2,1-3H3,(H,23,26)/t20-/m0/s1