(2-chlorophenyl)-[3-[(1-cyclopropylpiperidin-1-ium-4-yl)carbamoyl]phenyl]sulfonyl-azanide

Systemtic Name: (2-chlorophenyl)-[3-[(1-cyclopropylpiperidin-1-ium-4-yl)carbamoyl]phenyl]sulfonyl-azanide Openeye Name: (2-chlorophenyl)-[3-[(1-cyclopropylpiperidin-1-ium-4-yl)carbamoyl]phenyl]sulfonyl-azanide CAS Name: (2-chlorophenyl)-[3-[[(1-cyclopropyl-4-piperidin-1-iumyl)amino]-oxomethyl]phenyl]sulfonylazanide IUPAC Name: (2-chlorophenyl)-[3-[(1-cyclopropylpiperidin-1-ium-4-yl)carbamoyl]phenyl]sulfonylazanide Traditional Name: (2-chlorophenyl)-[3-[(1-cyclopropylpiperidin-1-ium-4-yl)carbamoyl]phenyl]sulfonyl-azanide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+]2CCC(CC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)[N-]C4=CC=CC=C4Cl

Isomeric SMILES

C1CC1[NH+]2CCC(CC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)[N-]C4=CC=CC=C4Cl

InChI

InChI=1S/C21H23ClN3O3S/c22-19-6-1-2-7-20(19)24-29(27,28)18-5-3-4-15(14-18)21(26)23-16-10-12-25(13-11-16)17-8-9-17/h1-7,14,16-17H,8-13H2,(H,23,26)/q-1/p+1