[(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [(3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-3-piperidyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [(3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-3-piperidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [(3S)-1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [(3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-3-piperidyl]-(4-methylpiperazino)methanone Formula: C19H28ClN3O4S MolecularWeight: 429.96132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCN(CC3)C)Cl

InChI

InChI=1S/C19H28ClN3O4S/c1-3-27-18-7-6-16(13-17(18)20)28(25,26)23-8-4-5-15(14-23)19(24)22-11-9-21(2)10-12-22/h6-7,13,15H,3-5,8-12,14H2,1-2H3/t15-/m0/s1