3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-pyrrolidino-2-(2-thienyl)ethyl]benzamide Formula: C24H33N3O4S2 MolecularWeight: 491.66652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N3CCCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N3CCCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H33N3O4S2/c1-31-21-11-10-19(17-23(21)33(29,30)27-14-4-2-3-5-15-27)24(28)25-18-20(22-9-8-16-32-22)26-12-6-7-13-26/h8-11,16-17,20H,2-7,12-15,18H2,1H3,(H,25,28)