4-[[6-(2-cyclopentylethanoylamino)indol-1-yl]methyl]-3-methoxy-N-thiophen-2-ylsulfonyl-benzamide

Systemtic Name: 4-[[6-(2-cyclopentylethanoylamino)indol-1-yl]methyl]-3-methoxy-N-thiophen-2-ylsulfonyl-benzamide Openeye Name: 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-N-(2-thienylsulfonyl)benzamide CAS Name: 4-[[6-[(2-cyclopentyl-1-oxoethyl)amino]-1-indolyl]methyl]-3-methoxy-N-thiophen-2-ylsulfonylbenzamide IUPAC Name: 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-N-thiophen-2-ylsulfonylbenzamide Traditional Name: 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-N-(2-thienylsulfonyl)benzamide Formula: C28H29N3O5S2 MolecularWeight: 551.67696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CS2)CN3C=CC4=C3C=C(C=C4)NC(=O)CC5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CS2)CN3C=CC4=C3C=C(C=C4)NC(=O)CC5CCCC5

InChI

InChI=1S/C28H29N3O5S2/c1-36-25-16-21(28(33)30-38(34,35)27-7-4-14-37-27)8-9-22(25)18-31-13-12-20-10-11-23(17-24(20)31)29-26(32)15-19-5-2-3-6-19/h4,7-14,16-17,19H,2-3,5-6,15,18H2,1H3,(H,29,32)(H,30,33)