3-[[3-(4-azanylpiperidin-1-yl)sulfonyl-4-chloranyl-2-oxidanyl-phenyl]amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[3-(4-azanylpiperidin-1-yl)sulfonyl-4-chloranyl-2-oxidanyl-phenyl]amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[(4-amino-1-piperidyl)sulfonyl]-4-chloro-2-hydroxy-anilino]-4-anilino-cyclobut-3-ene-1,2-dione CAS Name: 3-[3-[(4-amino-1-piperidinyl)sulfonyl]-4-chloro-2-hydroxyanilino]-4-anilinocyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-(4-aminopiperidin-1-yl)sulfonyl-4-chloro-2-hydroxyanilino]-4-anilinocyclobut-3-ene-1,2-dione Traditional Name: 3-[3-(4-aminopiperidino)sulfonyl-4-chloro-2-hydroxy-anilino]-4-anilino-cyclobut-3-ene-1,2-quinone Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)S(=O)(=O)C2=C(C=CC(=C2O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1N)S(=O)(=O)C2=C(C=CC(=C2O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O5S/c22-14-6-7-15(18(27)21(14)32(30,31)26-10-8-12(23)9-11-26)25-17-16(19(28)20(17)29)24-13-4-2-1-3-5-13/h1-7,12,24-25,27H,8-11,23H2