2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-[(2-fluoroanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide Formula: C19H29FN5O4S+ MolecularWeight: 442.528063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C19H28FN5O4S/c20-16-7-3-4-8-17(16)21-19(27)22-18(26)15-23-11-13-25(14-12-23)30(28,29)24-9-5-1-2-6-10-24/h3-4,7-8H,1-2,5-6,9-15H2,(H2,21,22,26,27)/p+1