N-cyclopropyl-3-[2-[(phenylmethyl)-thiophen-2-ylsulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-3-[2-[(phenylmethyl)-thiophen-2-ylsulfonyl-amino]ethanoylamino]benzamide Openeye Name: 3-[[2-[benzyl(2-thienylsulfonyl)amino]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-3-[[1-oxo-2-[(phenylmethyl)-thiophen-2-ylsulfonylamino]ethyl]amino]benzamide IUPAC Name: 3-[[2-[benzyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[benzyl(2-thienylsulfonyl)amino]acetyl]amino]-N-cyclopropyl-benzamide Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H23N3O4S2/c27-21(24-20-9-4-8-18(14-20)23(28)25-19-11-12-19)16-26(15-17-6-2-1-3-7-17)32(29,30)22-10-5-13-31-22/h1-10,13-14,19H,11-12,15-16H2,(H,24,27)(H,25,28)