N-[(Z)-N'-(3-phenylpropylsulfonyl)carbamimidoyl]-4-piperidin-1-yl-benzamide dihydrochloride

Systemtic Name: N-[(Z)-N'-(3-phenylpropylsulfonyl)carbamimidoyl]-4-piperidin-1-yl-benzamide dihydrochloride Openeye Name: N-[(Z)-N'-(3-phenylpropylsulfonyl)carbamimidoyl]-4-(1-piperidyl)benzamide dihydrochloride CAS Name: N-[(Z)-amino(3-phenylpropylsulfonylimino)methyl]-4-(1-piperidinyl)benzamide dihydrochloride IUPAC Name: N-[(Z)-N'-(3-phenylpropylsulfonyl)carbamimidoyl]-4-piperidin-1-ylbenzamide dihydrochloride Traditional Name: N-[(Z)-N'-(3-phenylpropylsulfonyl)amidino]-4-piperidino-benzamide dihydrochloride Formula: C22H30Cl2N4O3S MolecularWeight: 501.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C(=O)NC(=NS(=O)(=O)CCCC3=CC=CC=C3)N.Cl.Cl

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C(=O)N/C(=N\S(=O)(=O)CCCC3=CC=CC=C3)/N.Cl.Cl

InChI

InChI=1S/C22H28N4O3S.2ClH/c23-22(25-30(28,29)17-7-10-18-8-3-1-4-9-18)24-21(27)19-11-13-20(14-12-19)26-15-5-2-6-16-26;;/h1,3-4,8-9,11-14H,2,5-7,10,15-17H2,(H3,23,24,25,27);2*1H