2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-3-methyl-2-oxidanyl-butanamide hydrochloride

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-3-methyl-2-oxidanyl-butanamide hydrochloride Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-2-hydroxy-3-methyl-butanamide hydrochloride CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(4-methyl-1-piperazinyl)propyl]amino]-2-hydroxy-3-methylbutanamide hydrochloride IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-2-hydroxy-3-methylbutanamide hydrochloride Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(4-methylpiperazino)propyl]amino]-2-hydroxy-3-methyl-butyramide hydrochloride Formula: C23H37ClN4O5S MolecularWeight: 517.08168

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CCCN2CCN(CC2)C)C(C(C)C)(C(=O)N)O.Cl

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CCCN2CCN(CC2)C)C(C(C)C)(C(=O)N)O.Cl

InChI

InChI=1S/C23H36N4O5S.ClH/c1-5-6-18-32-20-8-10-21(11-9-20)33(30,31)27(23(29,19(2)3)22(24)28)13-7-12-26-16-14-25(4)15-17-26;/h8-11,19,29H,7,12-18H2,1-4H3,(H2,24,28);1H