3-[bromanyl-(4-methanoylnaphthalen-2-yl)sulfonyl-amino]-N-(4-pyridin-4-ylpiperazin-1-yl)-2-thiomorpholin-4-yl-propanamide

Systemtic Name: 3-[bromanyl-(4-methanoylnaphthalen-2-yl)sulfonyl-amino]-N-(4-pyridin-4-ylpiperazin-1-yl)-2-thiomorpholin-4-yl-propanamide Openeye Name: 3-[bromo-[(4-formyl-2-naphthyl)sulfonyl]amino]-N-[4-(4-pyridyl)piperazin-1-yl]-2-thiomorpholino-propanamide CAS Name: 3-[bromo-[(4-formyl-2-naphthalenyl)sulfonyl]amino]-N-(4-pyridin-4-yl-1-piperazinyl)-2-thiomorpholin-4-ylpropanamide IUPAC Name: 3-[bromo-(4-formylnaphthalen-2-yl)sulfonylamino]-N-(4-pyridin-4-ylpiperazin-1-yl)-2-thiomorpholin-4-ylpropanamide Traditional Name: 3-[bromo-[(4-formyl-2-naphthyl)sulfonyl]amino]-N-[4-(4-pyridyl)piperazino]-2-thiomorpholino-propionamide Formula: C27H31BrN6O4S2 MolecularWeight: 647.60684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)NC(=O)C(CN(S(=O)(=O)C3=CC4=CC=CC=C4C(=C3)C=O)Br)N5CCSCC5

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)NC(=O)C(CN(S(=O)(=O)C3=CC4=CC=CC=C4C(=C3)C=O)Br)N5CCSCC5

InChI

InChI=1S/C27H31BrN6O4S2/c28-34(40(37,38)24-17-21-3-1-2-4-25(21)22(18-24)20-35)19-26(32-13-15-39-16-14-32)27(36)30-33-11-9-31(10-12-33)23-5-7-29-8-6-23/h1-8,17-18,20,26H,9-16,19H2,(H,30,36)