N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-piperidin-1-yl-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-piperidin-1-yl-3-pyrrol-1-yl-benzamide Openeye Name: N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-(1-piperidyl)-3-pyrrol-1-yl-benzamide CAS Name: N-[(E)-amino(methylsulfonylimino)methyl]-4-(1-piperidinyl)-3-(1-pyrrolyl)benzamide IUPAC Name: N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-piperidin-1-yl-3-pyrrol-1-ylbenzamide Traditional Name: N-[(E)-N'-mesylamidino]-4-piperidino-3-pyrrol-1-yl-benzamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C(N)NC(=O)C1=CC(=C(C=C1)N2CCCCC2)N3C=CC=C3

Isomeric SMILES

CS(=O)(=O)/N=C(\N)/NC(=O)C1=CC(=C(C=C1)N2CCCCC2)N3C=CC=C3

InChI

InChI=1S/C18H23N5O3S/c1-27(25,26)21-18(19)20-17(24)14-7-8-15(22-9-3-2-4-10-22)16(13-14)23-11-5-6-12-23/h5-8,11-13H,2-4,9-10H2,1H3,(H3,19,20,21,24)