4-(azepan-1-ylsulfonyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C23H32N3O3S2+ MolecularWeight: 462.64848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC[C@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C23H31N3O3S2/c27-23(24-18-21(22-8-7-17-30-22)25-13-5-6-14-25)19-9-11-20(12-10-19)31(28,29)26-15-3-1-2-4-16-26/h7-12,17,21H,1-6,13-16,18H2,(H,24,27)/p+1/t21-/m1/s1