4-(2-azanylidene-1-piperidin-4-yl-propyl)-1-(6-chloranylnaphthalen-2-yl)sulfonyl-1,4-diazepin-5-one hydrochloride

Systemtic Name: 4-(2-azanylidene-1-piperidin-4-yl-propyl)-1-(6-chloranylnaphthalen-2-yl)sulfonyl-1,4-diazepin-5-one hydrochloride Openeye Name: 1-[(6-chloro-2-naphthyl)sulfonyl]-4-[2-imino-1-(4-piperidyl)propyl]-1,4-diazepin-5-one hydrochloride CAS Name: 1-[(6-chloro-2-naphthalenyl)sulfonyl]-4-[2-imino-1-(4-piperidinyl)propyl]-1,4-diazepin-5-one hydrochloride IUPAC Name: 1-(6-chloronaphthalen-2-yl)sulfonyl-4-(2-imino-1-piperidin-4-ylpropyl)-1,4-diazepin-5-one hydrochloride Traditional Name: 1-[(6-chloro-2-naphthyl)sulfonyl]-4-[2-imino-1-(4-piperidyl)propyl]-1,4-diazepin-5-one hydrochloride Formula: C23H26Cl2N4O3S MolecularWeight: 509.44854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C1CCNCC1)N2C=CN(C=CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl

Isomeric SMILES

CC(=N)C(C1CCNCC1)N2C=CN(C=CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl

InChI

InChI=1S/C23H25ClN4O3S.ClH/c1-16(25)23(17-6-9-26-10-7-17)28-13-12-27(11-8-22(28)29)32(30,31)21-5-3-18-14-20(24)4-2-19(18)15-21;/h2-5,8,11-15,17,23,25-26H,6-7,9-10H2,1H3;1H